5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide

C18H18N2O4S — CID 53054241

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-9-10-16(23-3)17(11-14)25(21,22)20-15-7-5-4-6-8-15/h4-11,20H,1-3H3
InChIKeyQXAPWPVUMQBBCB-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.77
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide (PubChem CID 53054241) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
PubChem CID53054241
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-9-10-16(23-3)17(11-14)25(21,22)20-15-7-5-4-6-8-15/h4-11,20H,1-3H3
InChIKeyQXAPWPVUMQBBCB-UHFFFAOYSA-N
XLogP3.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide (CID 53054241) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide is COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is QXAPWPVUMQBBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-18(13(2)24-19-12)14-9-10-16(23-3)17(11-14)25(21,22)20-15-7-5-4-6-8-15/h4-11,20H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 53054241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).